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(1-(13)C,1-(2)H)-6,7-dihydrogeranial
SpectraBase Compound ID Kd2e3zpHWkV
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7-9H,4-6H2,1-3H3/b10-7+/i8+1D
InChIKey RQRZJFGMCFXEQO-DWBZOGFPSA-N
Mol Weight 156.25 g/mol
Molecular Formula C913CH17DO
Exact Mass 156.145397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76Uj22BwcL2
Name (1-(13)C,1-(2)H)-6,7-dihydrogeranial
Appearance Colorless oil
Carrier Gas Helium
Comments Original formula: C9[13C]H17DO
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Formula C10H18O
InChI InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7-9H,4-6H2,1-3H3/b10-7+/i8+1D
InChIKey RQRZJFGMCFXEQO-DWBZOGFPSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.202014180
Molecular Weight 156.251 g/mol
Reported Formula C9(13)C1H17D1O
SMILES C(CC\C(=C\[13C](=O)[D])C)C(C)C
SPLASH splash10-000l-9000000000-bd31220627f90d60ab10
Source of Spectrum ACI-60-SM73-S6
Thin-Layer Chromatography Rf = 0.25 (pentane/Et2O, 9:1)
Wiley ID 1880492